Compound Detail
CHEMBL5029010
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5029010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTRMVYTYDOLCRU-DLBZAZTESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.53
ALogP
4
HBA
2
HBD
59.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 8.4 | 8.05 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 4.0 | nM | 8.4 | Inhibition of LSD1 (unknown origin) | 38214982 |
| Lysine-specific histone demethylase 1A | IC50 | = | 20.0 | nM | 7.7 | Inhibition of LSD1 (unknown origin) | 35820351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35820351 | 10.1016/j.ejmech.2022.114564 | Lysine-specific histone demethylase 1A | 1 |
| 38214982 | 10.1021/acs.jmedchem.3c02133 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine